smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+]12CCC(c3ccccc3)(CC1)[C@@H](O)C2	ZINC000006519810	187248407	/nfs/dbraw/zinc/24/84/07/187248407.db2.gz	HWSJHLHRHLEJPM-NFOMZHRRSA-N	1	0	218.320	1.539	40	5		BDBBRO
O=[N+]([O-])c1c(F)cccc1O[C@H]1CC[NH2+]C1	ZINC000051868536	187271433	/nfs/dbraw/zinc/27/14/33/187271433.db2.gz	VISVENUMUZKRDL-ZETCQYMHSA-N	1	0	226.207	1.475	40	5		BDBBRO
O=[N+]([O-])c1ccc(SC2CC[NH2+]CC2)nc1	ZINC000091366451	187286410	/nfs/dbraw/zinc/28/64/10/187286410.db2.gz	QFRXZWWQHIJCSQ-UHFFFAOYSA-N	1	0	239.300	1.834	40	5		BDBBRO
NC(=[NH2+])c1ccc([N+](=O)[O-])c(C(F)(F)F)c1	ZINC000199563342	181194948	/nfs/dbraw/zinc/19/49/48/181194948.db2.gz	PAAGADMJLQEFNW-UHFFFAOYSA-N	1	0	233.149	1.898	40	5		BDBBRO
CN1C=Cc2ccccc2[C@@H]1C[N+](=O)[O-]	ZINC000031669912	372088009	/nfs/dbraw/zinc/08/80/09/372088009.db2.gz	YMIXPQDJQDJFKQ-NSHDSACASA-N	1	0	204.229	1.921	40	5		BDBBRO
O=[N+]([O-])c1cccc(F)c1NC1CC[NH2+]CC1	ZINC000067800719	182945999	/nfs/dbraw/zinc/94/59/99/182945999.db2.gz	LMECQLKJGMAUFU-UHFFFAOYSA-N	1	0	239.250	1.898	40	5		BDBBRO
OC12CC[N+](Cc3ccccc3)(CC1)CC2	ZINC000001716922	183025206	/nfs/dbraw/zinc/02/52/06/183025206.db2.gz	GHAQKPULYUDBDP-UHFFFAOYSA-N	1	0	218.320	1.932	40	5		BDBBRO
[NH3+]Cc1cc(Br)ccc1[N+](=O)[O-]	ZINC000083357752	384470051	/nfs/dbraw/zinc/47/00/51/384470051.db2.gz	MFTURLVFLSJTPF-UHFFFAOYSA-N	1	0	231.049	1.816	40	5		BDBBRO
C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000004182325	173019457	/nfs/dbraw/zinc/01/94/57/173019457.db2.gz	XNADLAKKHYPORF-UHFFFAOYSA-N	1	0	235.287	1.737	40	5		BDBBRO
C[NH+]1C[C@H]2CN(c3ccc([N+](=O)[O-])cc3)C[C@@H]2C1	ZINC000026895929	173199734	/nfs/dbraw/zinc/19/97/34/173199734.db2.gz	MDXHLQQRWAKCBH-QWRGUYRKSA-N	1	0	247.298	1.593	40	5		BDBBRO
COC(=O)CCC[N+]12CCC(CC1)CC2	ZINC000045221371	173546682	/nfs/dbraw/zinc/54/66/82/173546682.db2.gz	NSCKASWUWREJNO-UHFFFAOYSA-N	1	0	212.313	1.570	40	5		BDBBRO
COc1cc([N+](=O)[O-])c(OC)cc1CC[NH3+]	ZINC000034117197	175017654	/nfs/dbraw/zinc/01/76/54/175017654.db2.gz	ZMUSDZGRRJGRAO-UHFFFAOYSA-N	1	0	226.232	1.113	40	5	in-vitro	BDBBRO
COc1cc([N+](=O)[O-])c(C[NH3+])cc1F	ZINC000169800308	175018261	/nfs/dbraw/zinc/01/82/61/175018261.db2.gz	ZIOWVFKAGURIHH-UHFFFAOYSA-N	1	0	200.169	1.201	40	5		BDBBRO
C[C@H]1C[NH2+]CCN1CCc1ccc([N+](=O)[O-])cc1	ZINC000054374341	177283730	/nfs/dbraw/zinc/28/37/30/177283730.db2.gz	DJJBWWMTXSWIMO-NSHDSACASA-N	1	0	249.314	1.431	40	5		BDBBRO
C[C@H]1C[NH2+]CCN1C(=O)c1cccc([N+](=O)[O-])c1	ZINC000054370653	177283838	/nfs/dbraw/zinc/28/38/38/177283838.db2.gz	SOTULKXOAFFXOC-VIFPVBQESA-N	1	0	249.270	1.029	40	5		BDBBRO
C[N+]1(Cn2nnc3ccccc32)CCCC1	ZINC000005377558	990564453	/nfs/dbraw/zinc/56/44/53/990564453.db2.gz	NRUFIIZCGABMGS-UHFFFAOYSA-N	1	0	217.296	1.629	40	5		BDBBRO
C[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1	ZINC000038762477	350738060	/nfs/dbraw/zinc/73/80/60/350738060.db2.gz	WHPGFIPBWHDGGE-UHFFFAOYSA-N	1	0	210.233	1.019	40	5		BDBBRO
NC(=[NH2+])c1cc([N+](=O)[O-])ccc1C(F)(F)F	ZINC000199556059	181194339	/nfs/dbraw/zinc/19/43/39/181194339.db2.gz	MNNCHCBHSNOKDE-UHFFFAOYSA-N	1	0	233.149	1.898	40	5		BDBBRO
OC12CC[N+](c3ccccc3)(CC1)CC2	ZINC000068604028	183024263	/nfs/dbraw/zinc/02/42/63/183024263.db2.gz	OQETUXOTLDPDGS-UHFFFAOYSA-N	1	0	204.293	1.923	40	5		BDBBRO
O=[N+]([O-])c1ccccc1CNC1CC[NH2+]CC1	ZINC000050015629	383886885	/nfs/dbraw/zinc/88/68/85/383886885.db2.gz	INRZKCFJQVBLOG-UHFFFAOYSA-N	1	0	235.287	1.436	40	5		BDBBRO
C[N+]1([C@@H]2CC[C@H]3CC[C@@H]2C3=O)CCCC1	ZINC000000393426	384663102	/nfs/dbraw/zinc/66/31/02/384663102.db2.gz	VLPNZOYKFIEKFZ-GRYCIOLGSA-N	1	0	208.325	1.985	40	5		BDBBRO
[NH3+][C@@H]1COc2c(cc(Cl)cc2[N+](=O)[O-])C1	ZINC000062720086	385074770	/nfs/dbraw/zinc/07/47/70/385074770.db2.gz	BDODHZJYDQSNBY-ZETCQYMHSA-N	1	0	228.635	1.510	40	5		BDBBRO
[NH3+]C1CCN(c2cccc(F)c2[N+](=O)[O-])CC1	ZINC000037420995	132344547	/nfs/dbraw/zinc/34/45/47/132344547.db2.gz	ZMDLKUPVSMKKOU-UHFFFAOYSA-N	1	0	239.250	1.661	40	5		BDBBRO
CC[N+]1([C@@H]2CC[C@H]3CC[C@@H]2[C@@H]3O)CCOCC1	ZINC000005105709	342758265	/nfs/dbraw/zinc/75/82/65/342758265.db2.gz	RCYBRYYJLMVFBK-XJFOESAGSA-N	1	0	240.367	1.403	40	5		BDBBRO
C[C@H]([NH3+])CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000005335957	346188210	/nfs/dbraw/zinc/18/82/10/346188210.db2.gz	LLPAIWNAHYVSMS-LURJTMIESA-N	1	0	240.219	1.262	40	5		BDBBRO
[NH3+]C1CCN(Cc2ccccc2[N+](=O)[O-])CC1	ZINC000020521681	181344756	/nfs/dbraw/zinc/34/47/56/181344756.db2.gz	MCFRXOSUIPWFME-UHFFFAOYSA-N	1	0	235.287	1.518	40	5		BDBBRO
O=[N+]([O-])c1ccc(CNC2CC[NH2+]CC2)cc1	ZINC000038041461	364556281	/nfs/dbraw/zinc/55/62/81/364556281.db2.gz	ROTSLSUAWLRTDY-UHFFFAOYSA-N	1	0	235.287	1.436	40	5		BDBBRO
O=[N+]([O-])c1ccc(CN2CCC[NH2+]CC2)cc1	ZINC000019392596	371138792	/nfs/dbraw/zinc/13/87/92/371138792.db2.gz	WRWFPOIMNPZDJJ-UHFFFAOYSA-N	1	0	235.287	1.390	40	5		BDBBRO
C[N+]1(C)CCC[C@@](O)(C(=O)c2ccccc2)C1	ZINC000001563467	383905096	/nfs/dbraw/zinc/90/50/96/383905096.db2.gz	SGSHQDHMCOLJDQ-AWEZNQCLSA-N	1	0	234.319	1.471	40	5		BDBBRO
C[N+](C)(C)c1ncnc2c1ncn2[C@@H]1CCCO1	ZINC000004722269	384077413	/nfs/dbraw/zinc/07/74/13/384077413.db2.gz	KEESNWGHTQPUTB-VIFPVBQESA-N	1	0	248.310	1.332	40	5		BDBBRO
CCCC[NH2+]Cc1cc([N+](=O)[O-])nn1C	ZINC000408715777	384351590	/nfs/dbraw/zinc/35/15/90/384351590.db2.gz	DNDPTFRYHAGRST-UHFFFAOYSA-N	1	0	212.253	1.218	40	5		BDBBRO
CC(C)[N@H+](CCO)Cc1cccc([N+](=O)[O-])c1	ZINC000049824782	384572016	/nfs/dbraw/zinc/57/20/16/384572016.db2.gz	KFXUZCATZBYRPD-UHFFFAOYSA-N	1	0	238.287	1.798	40	5		BDBBRO
C[NH+](C)CC[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000001602615	387070444	/nfs/dbraw/zinc/07/04/44/387070444.db2.gz	OLLHTTSCHCHUGQ-NSHDSACASA-N	1	0	224.260	1.580	40	5		BDBBRO
C[N+]1([C@H]2CC[C@H]3CC[C@@H]2[C@@H]3O)CCCC1	ZINC000004184575	388576583	/nfs/dbraw/zinc/57/65/83/388576583.db2.gz	WFYRTMMCIGPRMC-MROQNXINSA-N	1	0	210.341	1.776	40	5		BDBBRO
C[NH+](C)CCO[C@H](c1ccc(F)s1)[N+](=O)[O-]	ZINC000228915795	521793685	/nfs/dbraw/zinc/79/36/85/521793685.db2.gz	NAZQRKSPOGPMMU-SECBINFHSA-N	1	0	248.279	1.741	40	5		BDBBRO
Cn1cccc2c(=O)c3ccccc3[o+]c1-2	ZINC000001610819	518185566	/nfs/dbraw/zinc/18/55/66/518185566.db2.gz	SAESJUWCURJZTD-UHFFFAOYSA-N	1	0	212.228	1.771	40	5		BDBBRO
O=[N+]([O-])c1ccc(C[N@@H+](CCO)C2CC2)cc1	ZINC000048347386	342672432	/nfs/dbraw/zinc/67/24/32/342672432.db2.gz	ZPDXZCGATGXFEI-UHFFFAOYSA-N	1	0	236.271	1.552	40	5		BDBBRO
[NH3+]Cc1cccc([N+](=O)[O-])c1Br	ZINC000169800449	187303386	/nfs/dbraw/zinc/30/33/86/187303386.db2.gz	CCGZCZWPFBTHPQ-UHFFFAOYSA-N	1	0	231.049	1.816	40	5		BDBBRO
Cc1sc2cc([N+](=O)[O-])ccc2[n+]1C	ZINC000002156532	363422163	/nfs/dbraw/zinc/42/21/63/363422163.db2.gz	KXRMONLWGVERSU-UHFFFAOYSA-N	1	0	209.250	1.942	40	5		BDBBRO
[NH3+]CCCOc1ccc([N+](=O)[O-])cc1Cl	ZINC000001713200	181384570	/nfs/dbraw/zinc/38/45/70/181384570.db2.gz	GFKFSPCROXSLTN-UHFFFAOYSA-N	1	0	230.651	1.976	40	5		BDBBRO
C[N+]1(C)CC[C@H](O)[C@@H](c2ccccc2)C1	ZINC000001593056	383909330	/nfs/dbraw/zinc/90/93/30/383909330.db2.gz	JDKZWVSCQZMZQO-OLZOCXBDSA-N	1	0	206.309	1.611	40	5		BDBBRO
[NH3+]Cc1ccc([C@@H]2CCNC(=O)C2)c([N+](=O)[O-])c1	ZINC000199775755	384539487	/nfs/dbraw/zinc/53/94/87/384539487.db2.gz	SIBDYZUWBXCDJP-SECBINFHSA-N	1	0	249.270	1.047	40	5		BDBBRO
[NH3+][C@H]1COc2c(cc(Cl)cc2[N+](=O)[O-])C1	ZINC000062720089	385077127	/nfs/dbraw/zinc/07/71/27/385077127.db2.gz	BDODHZJYDQSNBY-SSDOTTSWSA-N	1	0	228.635	1.510	40	5		BDBBRO
Cc1ccc(N2CC[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1	ZINC000054375160	132364309	/nfs/dbraw/zinc/36/43/09/132364309.db2.gz	UKBPQRZRINYHSB-JTQLQIEISA-N	1	0	235.287	1.701	40	5		BDBBRO
CCOC(=O)[C@@H]1CCC[N+]2(C)CCCC[C@H]12	ZINC000006783872	170258848	/nfs/dbraw/zinc/25/88/48/170258848.db2.gz	AYAOGAWAISPJGQ-QAYQGLBKSA-N	1	0	226.340	1.959	40	5		BDBBRO
C[N+]1(C)[C@H]2COC[C@@H]1CC(O)(c1ccccc1)C2	ZINC000071785406	177488346	/nfs/dbraw/zinc/48/83/46/177488346.db2.gz	KDXXRMZSQOBKCE-YIONKMFJSA-N	1	0	248.346	1.512	40	5		BDBBRO
CC(C)N(CC[NH3+])Cc1cccc([N+](=O)[O-])c1	ZINC000079420715	187263364	/nfs/dbraw/zinc/26/33/64/187263364.db2.gz	RKGOTUNTPJCCJK-UHFFFAOYSA-N	1	0	237.303	1.764	40	5		BDBBRO
[NH3+]CCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1	ZINC000079420730	181390140	/nfs/dbraw/zinc/39/01/40/181390140.db2.gz	PWCIOPHZCOOTKA-UHFFFAOYSA-N	1	0	235.287	1.518	40	5		BDBBRO
O=C(NC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1	ZINC000036962387	182116430	/nfs/dbraw/zinc/11/64/30/182116430.db2.gz	BSNMWDYFHTYOMR-UHFFFAOYSA-N	1	0	249.270	1.077	40	5		BDBBRO
O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCCO2)c1	ZINC000002554121	182945709	/nfs/dbraw/zinc/94/57/09/182945709.db2.gz	XJMGDFZISCNQAG-LBPRGKRZSA-N	1	0	236.271	1.863	40	5		BDBBRO
[NH3+][C@@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1	ZINC000067800721	384190481	/nfs/dbraw/zinc/19/04/81/384190481.db2.gz	MMQZVQUWXQUDJP-SSDOTTSWSA-N	1	0	225.223	1.271	40	5		BDBBRO
C[N+]1([C@H]2CC[C@H]3CC[C@@H]2C3=O)CCCC1	ZINC000000393220	384662284	/nfs/dbraw/zinc/66/22/84/384662284.db2.gz	VLPNZOYKFIEKFZ-WOPDTQHZSA-N	1	0	208.325	1.985	40	5		BDBBRO
O=[N+]([O-])c1ccc(O[C@H]2CC[NH2+]C2)c(F)c1	ZINC000051783886	385912843	/nfs/dbraw/zinc/91/28/43/385912843.db2.gz	VSLCDTGYHMKNQH-QMMMGPOBSA-N	1	0	226.207	1.475	40	5		BDBBRO
CC[C@H]([NH3+])COc1ccc([N+](=O)[O-])cc1	ZINC000089261756	387278963	/nfs/dbraw/zinc/27/89/63/387278963.db2.gz	GWZZUAARCQZHDX-QMMMGPOBSA-N	1	0	210.233	1.711	40	5		BDBBRO
C[C@@H]1C[NH2+][C@@H](C)CN1c1ccc([N+](=O)[O-])cc1	ZINC000004773292	132316960	/nfs/dbraw/zinc/31/69/60/132316960.db2.gz	HZFREYKCBLRUCP-VHSXEESVSA-N	1	0	235.287	1.781	40	5		BDBBRO
C[N+]1(Cc2ccccc2)CCC[C@H](O)C1	ZINC000001585520	397917791	/nfs/dbraw/zinc/91/77/91/397917791.db2.gz	WOIPXYNVHSQOQT-LSLKUGRBSA-N	1	0	206.309	1.788	40	5		BDBBRO
CC(=O)O[C@H]1C[C@@H]2CCCC[C@@H]2[N+](C)(C)C1	ZINC000005395487	342763350	/nfs/dbraw/zinc/76/33/50/342763350.db2.gz	HIOCBGYLJFSZOO-AVGNSLFASA-N	1	0	226.340	1.957	40	5		BDBBRO
CC[N+]1(CCCN2CCOCC2)CCCCC1	ZINC000031923598	343226237	/nfs/dbraw/zinc/22/62/37/343226237.db2.gz	SBMMLUOUTHZGMQ-UHFFFAOYSA-N	1	0	241.399	1.729	40	5		BDBBRO
Cc1cccc(C[N+](C)(C)CCO)c1C	ZINC000001600315	179106823	/nfs/dbraw/zinc/10/68/23/179106823.db2.gz	NLTHAXJUOUYICN-UHFFFAOYSA-N	1	0	208.325	1.872	40	5		BDBBRO
[NH3+][C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1	ZINC000038539643	362938539	/nfs/dbraw/zinc/93/85/39/362938539.db2.gz	MDXMBGFSYFFOJY-NSHDSACASA-N	1	0	235.287	1.518	40	5		BDBBRO
Cn1c2ccccc2[n+](=O)c2ccccc21	ZINC000005377819	187929806	/nfs/dbraw/zinc/92/98/06/187929806.db2.gz	SCGKJYOZINOKAQ-UHFFFAOYSA-N	1	0	211.244	1.451	40	5		BDBBRO
NC(=[NH2+])NSc1ccccc1[N+](=O)[O-]	ZINC000019418225	181191705	/nfs/dbraw/zinc/19/17/05/181191705.db2.gz	PTFHJSQWCNTBGA-UHFFFAOYSA-N	1	0	212.234	1.085	40	5		BDBBRO
O=[N+]([O-])c1cc(F)ccc1NC1CC[NH2+]CC1	ZINC000036301793	360869005	/nfs/dbraw/zinc/86/90/05/360869005.db2.gz	RJDCZRLQESETAP-UHFFFAOYSA-N	1	0	239.250	1.898	40	5		BDBBRO
CC(C)(CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC000006883156	361073433	/nfs/dbraw/zinc/07/34/33/361073433.db2.gz	OYDZAXPQPLOMJR-UHFFFAOYSA-N	1	0	224.260	1.455	40	5		BDBBRO
O=[N+]([O-])c1cccnc1NCC1CC[NH2+]CC1	ZINC000040434911	373263926	/nfs/dbraw/zinc/26/39/26/373263926.db2.gz	WJHBVMJHDMTRCL-UHFFFAOYSA-N	1	0	236.275	1.401	40	5		BDBBRO
CCN(CC[NH3+])Cc1ccc([N+](=O)[O-])cc1	ZINC000079420698	388694582	/nfs/dbraw/zinc/69/45/82/388694582.db2.gz	JIVGCGHWGUAZIT-UHFFFAOYSA-N	1	0	223.276	1.375	40	5		BDBBRO
CN1CCc2ccccc2[C@@H]1C[N+](C)(C)C	ZINC000003845813	173172748	/nfs/dbraw/zinc/17/27/48/173172748.db2.gz	NLLQUKFFDFUNPW-AWEZNQCLSA-N	1	0	219.352	1.922	40	5		BDBBRO
C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1	ZINC000071978889	176261546	/nfs/dbraw/zinc/26/15/46/176261546.db2.gz	FCZWROLPEYUMCX-SECBINFHSA-N	1	0	249.270	1.029	40	5		BDBBRO
O=[N+]([O-])c1cccc(C[N@@H+](CCO)C2CC2)c1	ZINC000048065122	343570979	/nfs/dbraw/zinc/57/09/79/343570979.db2.gz	GTHUOPYHZAHKED-UHFFFAOYSA-N	1	0	236.271	1.552	40	5		BDBBRO
O=[N+]([O-])c1cccnc1SC[C@@H]1CC[NH2+]C1	ZINC000091365521	182955229	/nfs/dbraw/zinc/95/52/29/182955229.db2.gz	KDIMQNKHLNDUIM-MRVPVSSYSA-N	1	0	239.300	1.691	40	5		BDBBRO
C[C@@H]([NH3+])c1nnc(-c2cccc([N+](=O)[O-])c2)[nH]1	ZINC000061843975	384789454	/nfs/dbraw/zinc/78/94/54/384789454.db2.gz	IBPKQVFIODUKFZ-ZCFIWIBFSA-N	1	0	233.231	1.400	40	5		BDBBRO
O=[N+]([O-])c1ccccc1N[C@@H]1CC[NH2+]C1	ZINC000052093696	385660175	/nfs/dbraw/zinc/66/01/75/385660175.db2.gz	AYVWGWUVABGHSG-MRVPVSSYSA-N	1	0	207.233	1.369	40	5		BDBBRO
C[N+](C)(C)CCC(=O)c1cccc([N+](=O)[O-])c1	ZINC000001571721	177487246	/nfs/dbraw/zinc/48/72/46/177487246.db2.gz	BNTXKDBEKPGGKA-UHFFFAOYSA-N	1	0	237.279	1.874	40	5		BDBBRO
CCCCCC(=O)OCC[N+](C)(C)C	ZINC000001736031	342711736	/nfs/dbraw/zinc/71/17/36/342711736.db2.gz	FKJUAGXPCITGLZ-UHFFFAOYSA-N	1	0	202.318	1.816	40	5	endogenous,in-man	BDBBRO
O=[N+]([O-])c1ccccc1CN1CCC[NH2+]CC1	ZINC000019389944	352626707	/nfs/dbraw/zinc/62/67/07/352626707.db2.gz	UNXJKBXWPLZQFA-UHFFFAOYSA-N	1	0	235.287	1.390	40	5		BDBBRO
O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCCO2)c1	ZINC000015416797	352748319	/nfs/dbraw/zinc/74/83/19/352748319.db2.gz	XJMGDFZISCNQAG-GFCCVEGCSA-N	1	0	236.271	1.863	40	5		BDBBRO
NC(=[NH2+])c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000034279252	181194225	/nfs/dbraw/zinc/19/42/25/181194225.db2.gz	KIBCKGRRIAGVRZ-UHFFFAOYSA-N	1	0	233.149	1.898	40	5		BDBBRO
[NH2+]=C(Nc1ccc([N+](=O)[O-])cn1)N1CCCCC1	ZINC000225239652	181199615	/nfs/dbraw/zinc/19/96/15/181199615.db2.gz	PSRNRPSOJCHZBY-UHFFFAOYSA-N	1	0	249.274	1.822	40	5		BDBBRO
Cn1c2ccccc2n2nc3ccccc3[n+]12	ZINC000136203775	368345258	/nfs/dbraw/zinc/34/52/58/368345258.db2.gz	ZMNICSIMJSXCPI-UHFFFAOYSA-N	1	0	223.259	1.565	40	5		BDBBRO
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)[C@@H](C)C[NH2+]1	ZINC000004773291	132317055	/nfs/dbraw/zinc/31/70/55/132317055.db2.gz	HZFREYKCBLRUCP-ZJUUUORDSA-N	1	0	235.287	1.781	40	5		BDBBRO
Cc1ccc(N2CC[NH2+]CC2)cc1[N+](=O)[O-]	ZINC000008413121	132319020	/nfs/dbraw/zinc/31/90/20/132319020.db2.gz	MWSJNAFFWBQRPQ-UHFFFAOYSA-N	1	0	221.260	1.313	40	5		BDBBRO
CCCCS(=O)(=O)C[N+](C)(CC)CC	ZINC000001568278	342703487	/nfs/dbraw/zinc/70/34/87/342703487.db2.gz	BWMSXYSASWUKBX-UHFFFAOYSA-N	1	0	222.374	1.645	40	5		BDBBRO
NC(=[NH2+])c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000225403708	181195442	/nfs/dbraw/zinc/19/54/42/181195442.db2.gz	BYDJPFCJBWIONA-UHFFFAOYSA-N	1	0	234.259	1.479	40	5		BDBBRO
[NH2+]=C(Nc1ncccc1[N+](=O)[O-])N1CCCCC1	ZINC000225242932	181200234	/nfs/dbraw/zinc/20/02/34/181200234.db2.gz	PTUYQHCVEUXFHD-UHFFFAOYSA-N	1	0	249.274	1.822	40	5		BDBBRO
[NH3+]C1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000020494673	181343356	/nfs/dbraw/zinc/34/33/56/181343356.db2.gz	COCFOKCXFWFLQP-UHFFFAOYSA-N	1	0	249.270	1.158	40	5		BDBBRO
O=[N+]([O-])c1ncccc1NCC[NH+]1CCCC1	ZINC000005389866	385064753	/nfs/dbraw/zinc/06/47/53/385064753.db2.gz	ICTPDFMBWUIJCW-UHFFFAOYSA-N	1	0	236.275	1.498	40	5		BDBBRO
Cc1ccc([N+](=O)[O-])c(OCC(N)=[NH2+])c1	ZINC000058077872	388374284	/nfs/dbraw/zinc/37/42/84/388374284.db2.gz	YPAKWFYCKCRMIK-UHFFFAOYSA-N	1	0	209.205	1.218	40	5		BDBBRO
O=[N+]([O-])c1cccnc1S[C@@H]1CC[NH2+]C1	ZINC000091365520	388628455	/nfs/dbraw/zinc/62/84/55/388628455.db2.gz	SNIGNBXVZSZZJQ-SSDOTTSWSA-N	1	0	225.273	1.444	40	5		BDBBRO
Cc1ccc(NC(=O)CN(C)C)cc1[N+](=O)[O-]	ZINC000118288862	388729055	/nfs/dbraw/zinc/72/90/55/388729055.db2.gz	BBUVLWHGYCFHSW-UHFFFAOYSA-N	1	0	237.259	1.403	40	5		BDBBRO
OCC1=CC[N+]2(Cc3ccccc3)CC[C@H](O)[C@@H]12	ZINC000006240283	411242585	/nfs/dbraw/zinc/24/25/85/411242585.db2.gz	MPDVSGSUYGUBLA-QMRHZFGWSA-N	1	0	246.330	1.069	40	5		BDBBRO
COc1cc(N2CC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-]	ZINC000091356027	174997122	/nfs/dbraw/zinc/99/71/22/174997122.db2.gz	JRIWVVGOWGJRLQ-MRVPVSSYSA-N	1	0	237.259	1.141	40	5		BDBBRO
C[C@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000054370656	177283604	/nfs/dbraw/zinc/28/36/04/177283604.db2.gz	MTEYNBJQZLKPSB-VIFPVBQESA-N	1	0	249.270	1.029	40	5		BDBBRO
CCCCCC[N+]1(CCO)CCOCC1	ZINC000003014629	342729808	/nfs/dbraw/zinc/72/98/08/342729808.db2.gz	XPHUTTYPQUCAPN-UHFFFAOYSA-N	1	0	216.345	1.406	40	5		BDBBRO
OCC1=CC[N+]2(Cc3ccccc3)CC[C@@H](O)[C@H]12	ZINC000005017993	191120739	/nfs/dbraw/zinc/12/07/39/191120739.db2.gz	MPDVSGSUYGUBLA-YSPPHNQVSA-N	1	0	246.330	1.069	40	5		BDBBRO
Cn1cc[n+](Cc2ccc([N+](=O)[O-])cc2)c1	ZINC000001673645	357100420	/nfs/dbraw/zinc/10/04/20/357100420.db2.gz	GZWMLNWJKSOARQ-UHFFFAOYSA-N	1	0	218.236	1.269	40	5		BDBBRO
C[N+]1(C)CC[C@@H](O)[C@@H](c2ccccc2)C1	ZINC000001593054	383908979	/nfs/dbraw/zinc/90/89/79/383908979.db2.gz	JDKZWVSCQZMZQO-CHWSQXEVSA-N	1	0	206.309	1.611	40	5		BDBBRO
CC1(C)CC([N+](C)(C)CCO)CC(C)(C)N1O	ZINC000002565827	383976620	/nfs/dbraw/zinc/97/66/20/383976620.db2.gz	KFJJJSRCJLCRCE-UHFFFAOYSA-N	1	0	245.387	1.466	40	5		BDBBRO
O=[N+]([O-])c1cc(F)ccc1O[C@@H]1CC[NH2+]C1	ZINC000051867983	386055272	/nfs/dbraw/zinc/05/52/72/386055272.db2.gz	KYSPINNKNBIHMC-MRVPVSSYSA-N	1	0	226.207	1.475	40	5		BDBBRO
C[C@@H]([NH3+])c1nc(-c2ccccc2[N+](=O)[O-])n[nH]1	ZINC000095534643	388780107	/nfs/dbraw/zinc/78/01/07/388780107.db2.gz	HBRCLAKFLVTKRV-ZCFIWIBFSA-N	1	0	233.231	1.400	40	5		BDBBRO
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)[C@H](C)C[NH2+]1	ZINC000004773290	132316927	/nfs/dbraw/zinc/31/69/27/132316927.db2.gz	HZFREYKCBLRUCP-NXEZZACHSA-N	1	0	235.287	1.781	40	5		BDBBRO
C[C@@H]1C[NH2+]CCN1c1ccccc1[N+](=O)[O-]	ZINC000054374871	132364374	/nfs/dbraw/zinc/36/43/74/132364374.db2.gz	YUYFTFHUUJEVSV-SECBINFHSA-N	1	0	221.260	1.393	40	5		BDBBRO
COc1ccc(C(=O)CC[N+](C)(C)C)cc1	ZINC000001571719	175053940	/nfs/dbraw/zinc/05/39/40/175053940.db2.gz	YIHSFYBBAMSNLH-UHFFFAOYSA-N	1	0	222.308	1.974	40	5		BDBBRO
C[C@@H]1C[NH2+]CCN1C(=O)c1cccc([N+](=O)[O-])c1	ZINC000054370650	176326580	/nfs/dbraw/zinc/32/65/80/176326580.db2.gz	SOTULKXOAFFXOC-SECBINFHSA-N	1	0	249.270	1.029	40	5		BDBBRO
C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1	ZINC000071978890	177227542	/nfs/dbraw/zinc/22/75/42/177227542.db2.gz	FCZWROLPEYUMCX-VIFPVBQESA-N	1	0	249.270	1.029	40	5		BDBBRO
CC(=O)N1CC[N+](C)(C)c2ccccc21	ZINC000001681126	534818255	/nfs/dbraw/zinc/81/82/55/534818255.db2.gz	PWEGKJUOTNARGL-UHFFFAOYSA-N	1	0	205.281	1.620	40	5		BDBBRO
O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCO2)cc1	ZINC000015416801	352748431	/nfs/dbraw/zinc/74/84/31/352748431.db2.gz	JTIVCHBKMBKRNX-GFCCVEGCSA-N	1	0	236.271	1.863	40	5		BDBBRO
C[N+]1(C[C@@H](O)c2ccccc2)CCOCC1	ZINC000001668340	383917163	/nfs/dbraw/zinc/91/71/63/383917163.db2.gz	IRELKPHNANAQBL-CYBMUJFWSA-N	1	0	222.308	1.197	40	5		BDBBRO
C[NH+](C)C[C@]1(c2ccccc2)CC[N+](C)(C)C1	ZINC000004962470	384091464	/nfs/dbraw/zinc/09/14/64/384091464.db2.gz	FXEBVCSNTLJJLO-OAHLLOKOSA-N	1	0	233.379	1.966	40	5		BDBBRO
[NH3+]Cc1ccc([C@H]2CCNC(=O)C2)c([N+](=O)[O-])c1	ZINC000199775771	384539808	/nfs/dbraw/zinc/53/98/08/384539808.db2.gz	SIBDYZUWBXCDJP-VIFPVBQESA-N	1	0	249.270	1.047	40	5		BDBBRO
C[NH+](C)CCCNc1ccccc1[N+](=O)[O-]	ZINC000005422891	384805914	/nfs/dbraw/zinc/80/59/14/384805914.db2.gz	ZDZJXJSIUMJLQB-UHFFFAOYSA-N	1	0	223.276	1.958	40	5		BDBBRO
[NH3+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000071614983	385272034	/nfs/dbraw/zinc/27/20/34/385272034.db2.gz	JMSWUCYUMACMDD-UHFFFAOYSA-N	1	0	219.200	1.709	40	5		BDBBRO
COCC[N@@H+]1CCc2cc([N+](=O)[O-])ccc2C1	ZINC000218744573	174316384	/nfs/dbraw/zinc/31/63/84/174316384.db2.gz	SZZQMYOJWAVZNL-UHFFFAOYSA-N	1	0	236.271	1.599	40	5		BDBBRO
COc1ccc([C@@H]2[NH2+]CCC[C@H]2[N+](=O)[O-])cc1	ZINC000057467361	175185061	/nfs/dbraw/zinc/18/50/61/175185061.db2.gz	ONURMEJKMUZZPO-NEPJUHHUSA-N	1	0	236.271	1.765	40	5		BDBBRO
CC[N+](C)(CC)C[C@@H]1C[C@@H](C)OC1=O	ZINC000005339817	342762216	/nfs/dbraw/zinc/76/22/16/342762216.db2.gz	NPFQMTANNZXFQC-ZJUUUORDSA-N	1	0	200.302	1.424	40	5		BDBBRO
CC(C)([NH3+])COC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001724778	188100244	/nfs/dbraw/zinc/10/02/44/188100244.db2.gz	KWGKSXXZVKSTJM-UHFFFAOYSA-N	1	0	238.243	1.489	40	5		BDBBRO
[NH3+]C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000020457745	181344619	/nfs/dbraw/zinc/34/46/19/181344619.db2.gz	UHIQIZHKFBGXFN-UHFFFAOYSA-N	1	0	235.287	1.518	40	5		BDBBRO
[NH3+]CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1	ZINC000079420733	181390662	/nfs/dbraw/zinc/39/06/62/181390662.db2.gz	KSZLZTOSJXOHHD-UHFFFAOYSA-N	1	0	235.287	1.518	40	5		BDBBRO
[NH3+]CCNc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000005511625	181397931	/nfs/dbraw/zinc/39/79/31/181397931.db2.gz	XINUPZZZAOENTH-UHFFFAOYSA-N	1	0	215.640	1.619	40	5		BDBBRO
C[N+]1(CCc2ccccc2)CCOCC1	ZINC000000245432	383847464	/nfs/dbraw/zinc/84/74/64/383847464.db2.gz	STZCPJSJKBTWMM-UHFFFAOYSA-N	1	0	206.309	1.706	40	5		BDBBRO
C[N+]1(C)CC[C@H](O)[C@H](c2ccccc2)C1	ZINC000001593057	383910139	/nfs/dbraw/zinc/91/01/39/383910139.db2.gz	JDKZWVSCQZMZQO-STQMWFEESA-N	1	0	206.309	1.611	40	5		BDBBRO
C[N+](C)(C)C[C@H]1Cc2ccccc2C1=O	ZINC000005940141	384138354	/nfs/dbraw/zinc/13/83/54/384138354.db2.gz	RIHHCDGMNDWXNT-LLVKDONJSA-N	1	0	204.293	1.748	40	5		BDBBRO
C[C@H]([NH3+])c1nnc(-c2cccc([N+](=O)[O-])c2)[nH]1	ZINC000061843974	384788615	/nfs/dbraw/zinc/78/86/15/384788615.db2.gz	IBPKQVFIODUKFZ-LURJTMIESA-N	1	0	233.231	1.400	40	5		BDBBRO
C[C@@H]([NH3+])c1nc(-c2ccc([N+](=O)[O-])cc2)n[nH]1	ZINC000061843973	384791053	/nfs/dbraw/zinc/79/10/53/384791053.db2.gz	OTZGDPWFEMEYPN-ZCFIWIBFSA-N	1	0	233.231	1.400	40	5		BDBBRO
O=[N+]([O-])c1cccc(F)c1O[C@H]1CC[NH2+]C1	ZINC000067800894	388700934	/nfs/dbraw/zinc/70/09/34/388700934.db2.gz	SEURDWYODCOCMT-ZETCQYMHSA-N	1	0	226.207	1.475	40	5		BDBBRO
[NH3+]C1CCN(c2c(F)cccc2[N+](=O)[O-])CC1	ZINC000067800826	132390295	/nfs/dbraw/zinc/39/02/95/132390295.db2.gz	OUKMEOMXQRIONT-UHFFFAOYSA-N	1	0	239.250	1.661	40	5		BDBBRO
O=[N+]([O-])c1cccc(-[n+]2ccccc2)c1[N+](=O)[O-]	ZINC000005640939	342767512	/nfs/dbraw/zinc/76/75/12/342767512.db2.gz	GDULICSGKBVEFY-UHFFFAOYSA-N	1	0	246.202	1.780	40	5		BDBBRO
O=[N+]([O-])c1ccc2[nH]c(C3CC[NH2+]CC3)nc2c1	ZINC000005887006	342771115	/nfs/dbraw/zinc/77/11/15/342771115.db2.gz	ORQGRXRMWXVWAP-UHFFFAOYSA-N	1	0	246.270	1.938	40	5		BDBBRO
C[N+]12CCC[C@@H]1[C@H]1C[C@@H](C2)c2cccc(=O)n2C1	ZINC000004082221	187411211	/nfs/dbraw/zinc/41/12/11/187411211.db2.gz	PDBKVEXJATVUPI-MPCWIPMNSA-N	1	0	245.346	1.574	40	5		BDBBRO
Cc1ccc(N2CCC[NH2+]CC2)c([N+](=O)[O-])c1	ZINC000037400979	363997828	/nfs/dbraw/zinc/99/78/28/363997828.db2.gz	VWXSMGZQRFRWML-UHFFFAOYSA-N	1	0	235.287	1.703	40	5		BDBBRO
[NH3+]CCn1ccc(-c2cccc([N+](=O)[O-])c2)n1	ZINC000072206339	181415881	/nfs/dbraw/zinc/41/58/81/181415881.db2.gz	LKZSVRZWFQTLDS-UHFFFAOYSA-N	1	0	232.243	1.417	40	5		BDBBRO
C[C@H](O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC000008498024	372738906	/nfs/dbraw/zinc/73/89/06/372738906.db2.gz	MELZPPYLLIVSJH-QMMMGPOBSA-N	1	0	210.233	1.065	40	5		BDBBRO
CC[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC000008337100	384199621	/nfs/dbraw/zinc/19/96/21/384199621.db2.gz	ULCNJCXXUJYDEK-SNVBAGLBSA-N	1	0	224.260	1.455	40	5		BDBBRO
C[N+]1([C@H]2CC[C@@H]3CC[C@H]2C3=O)CCCC1	ZINC000138757154	384585064	/nfs/dbraw/zinc/58/50/64/384585064.db2.gz	VLPNZOYKFIEKFZ-TUAOUCFPSA-N	1	0	208.325	1.985	40	5		BDBBRO
C[C@H]([NH3+])c1nc(Cc2ccc([N+](=O)[O-])cc2)n[nH]1	ZINC000082751643	384710129	/nfs/dbraw/zinc/71/01/29/384710129.db2.gz	RSKKLOVGEVEZNZ-ZETCQYMHSA-N	1	0	247.258	1.323	40	5		BDBBRO
O=[N+]([O-])c1cc(F)ccc1O[C@H]1CC[NH2+]C1	ZINC000051867985	386054652	/nfs/dbraw/zinc/05/46/52/386054652.db2.gz	KYSPINNKNBIHMC-QMMMGPOBSA-N	1	0	226.207	1.475	40	5		BDBBRO
C[NH+](C)CC[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000006437084	387456098	/nfs/dbraw/zinc/45/60/98/387456098.db2.gz	OLLHTTSCHCHUGQ-LLVKDONJSA-N	1	0	224.260	1.580	40	5		BDBBRO
[NH3+]CCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000016697719	388353881	/nfs/dbraw/zinc/35/38/81/388353881.db2.gz	WCEQCNQJOJXYCV-UHFFFAOYSA-N	1	0	211.177	1.004	40	5		BDBBRO
CC[N@@H+]1CCc2cc([N+](=O)[O-])ccc2C1	ZINC000117620303	170025859	/nfs/dbraw/zinc/02/58/59/170025859.db2.gz	ZWWMEJPVFSLVRU-UHFFFAOYSA-N	1	0	206.245	1.973	40	5		BDBBRO
C[N+]1(C)CCO[C@](O)(c2ccc(F)cc2)C1	ZINC000000162680	177488291	/nfs/dbraw/zinc/48/82/91/177488291.db2.gz	LPMKRPCHDMXLAH-LBPRGKRZSA-N	1	0	226.271	1.077	40	5		BDBBRO
CC[N+](C)(CC)C[C@H]1C[C@@H](C)OC1=O	ZINC000001758015	342712266	/nfs/dbraw/zinc/71/22/66/342712266.db2.gz	NPFQMTANNZXFQC-NXEZZACHSA-N	1	0	200.302	1.424	40	5		BDBBRO
Cc1ccccc1C[N+](C)(C)CCCO	ZINC000001690758	179292428	/nfs/dbraw/zinc/29/24/28/179292428.db2.gz	WVFNKCJASDZJIK-UHFFFAOYSA-N	1	0	208.325	1.954	40	5		BDBBRO
C[n+]1c2ccccc2nc2c(N)cc(N)cc21	ZINC000004215584	188102185	/nfs/dbraw/zinc/10/21/85/188102185.db2.gz	KRAWUEPNKYPATF-UHFFFAOYSA-O	1	0	225.275	1.377	40	5		BDBBRO
NC(=[NH2+])c1ccc(Br)c([N+](=O)[O-])c1	ZINC000096346852	181194294	/nfs/dbraw/zinc/19/42/94/181194294.db2.gz	AMOXJFMHJTXNGJ-UHFFFAOYSA-N	1	0	244.048	1.641	40	5		BDBBRO
C[N+]1([C@H]2CC[C@@H]3CC[C@H]2[C@H]3O)CCCC1	ZINC000000488355	383872978	/nfs/dbraw/zinc/87/29/78/383872978.db2.gz	WFYRTMMCIGPRMC-RNJOBUHISA-N	1	0	210.341	1.776	40	5		BDBBRO
CCOC(=O)[C@H]1CCC[N+]2(C)CCCC[C@@H]12	ZINC000004023129	170280743	/nfs/dbraw/zinc/28/07/43/170280743.db2.gz	AYAOGAWAISPJGQ-VHBIQUBJSA-N	1	0	226.340	1.959	40	5		BDBBRO
CN1CCc2ccccc2[C@H]1C[N+](C)(C)C	ZINC000003845814	173171477	/nfs/dbraw/zinc/17/14/77/173171477.db2.gz	NLLQUKFFDFUNPW-CQSZACIVSA-N	1	0	219.352	1.922	40	5		BDBBRO
C[C@@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000054370655	176327059	/nfs/dbraw/zinc/32/70/59/176327059.db2.gz	MTEYNBJQZLKPSB-SECBINFHSA-N	1	0	249.270	1.029	40	5		BDBBRO
C[N+]1(C[C@@H](O)COc2ccccc2)CCCC1	ZINC000036640172	177487726	/nfs/dbraw/zinc/48/77/26/177487726.db2.gz	AQKRTZZUHRNHMM-CYBMUJFWSA-N	1	0	236.335	1.667	40	5		BDBBRO
O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCO2)cc1	ZINC000054978538	398282224	/nfs/dbraw/zinc/28/22/24/398282224.db2.gz	JTIVCHBKMBKRNX-LBPRGKRZSA-N	1	0	236.271	1.863	40	5		BDBBRO
Cc1ccc(OCC(N)=[NH2+])c([N+](=O)[O-])c1	ZINC000058477977	178809643	/nfs/dbraw/zinc/80/96/43/178809643.db2.gz	ZZLYFYUOFRZTAG-UHFFFAOYSA-N	1	0	209.205	1.218	40	5		BDBBRO
[NH3+][C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1	ZINC000038539641	362938447	/nfs/dbraw/zinc/93/84/47/362938447.db2.gz	MDXMBGFSYFFOJY-LLVKDONJSA-N	1	0	235.287	1.518	40	5		BDBBRO
OCC1=CC[N+]2(Cc3ccccc3)CC[C@@H](O)[C@@H]12	ZINC000004028515	188156707	/nfs/dbraw/zinc/15/67/07/188156707.db2.gz	MPDVSGSUYGUBLA-YGFGXBMJSA-N	1	0	246.330	1.069	40	5		BDBBRO
O=[N+]([O-])c1cccc(CNC2CC[NH2+]CC2)c1	ZINC000052926234	386371997	/nfs/dbraw/zinc/37/19/97/386371997.db2.gz	JCBNOYXEVNQCJL-UHFFFAOYSA-N	1	0	235.287	1.436	40	5		BDBBRO
CC[C@@H]([NH3+])COc1ccc([N+](=O)[O-])cc1	ZINC000089261757	387278762	/nfs/dbraw/zinc/27/87/62/387278762.db2.gz	GWZZUAARCQZHDX-MRVPVSSYSA-N	1	0	210.233	1.711	40	5		BDBBRO
[NH3+]Cc1cc(F)c(Br)cc1[N+](=O)[O-]	ZINC000169800518	387868864	/nfs/dbraw/zinc/86/88/64/387868864.db2.gz	LPEQNLGIBXZGAH-UHFFFAOYSA-N	1	0	249.039	1.955	40	5		BDBBRO
C[C@H]1C[NH2+]CCN1Cc1ccccc1[N+](=O)[O-]	ZINC000054373133	177284868	/nfs/dbraw/zinc/28/48/68/177284868.db2.gz	UTSKPKRQUTWCES-JTQLQIEISA-N	1	0	235.287	1.389	40	5		BDBBRO
CC[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC000008326375	384199370	/nfs/dbraw/zinc/19/93/70/384199370.db2.gz	ULCNJCXXUJYDEK-JTQLQIEISA-N	1	0	224.260	1.455	40	5		BDBBRO
CC[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])nn1C	ZINC000408717256	384351356	/nfs/dbraw/zinc/35/13/56/384351356.db2.gz	XNDAFXCNRVJBNG-ZETCQYMHSA-N	1	0	212.253	1.216	40	5		BDBBRO
O=[N+]([O-])c1ccc(O[C@@H]2CC[NH2+]C2)c(F)c1	ZINC000051783884	385912753	/nfs/dbraw/zinc/91/27/53/385912753.db2.gz	VSLCDTGYHMKNQH-MRVPVSSYSA-N	1	0	226.207	1.475	40	5		BDBBRO
[NH3+]CCS[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000003040752	388361500	/nfs/dbraw/zinc/36/15/00/388361500.db2.gz	BETQUCVLOBNDLR-SECBINFHSA-N	1	0	228.273	1.278	40	5		BDBBRO
CC(=O)O[C@@H]1C[C@@H]2CCCC[C@@H]2[N+](C)(C)C1	ZINC000005395486	322815088	/nfs/dbraw/zinc/81/50/88/322815088.db2.gz	HIOCBGYLJFSZOO-XQQFMLRXSA-N	1	0	226.340	1.957	40	5		BDBBRO
C[N@@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])cc2)C1	ZINC000035635953	173128796	/nfs/dbraw/zinc/12/87/96/173128796.db2.gz	JCOQCIOOCBCHDU-LLVKDONJSA-N	1	0	222.244	1.678	40	5		BDBBRO
CNC(=O)Oc1ccc([N+](C)(C)C)cc1	ZINC000001716476	173293257	/nfs/dbraw/zinc/29/32/57/173293257.db2.gz	CCRBFHVLXMPBBR-UHFFFAOYSA-O	1	0	209.269	1.602	40	5		BDBBRO
C[C@@H]1C[NH2+]CCN1Cc1cccc([N+](=O)[O-])c1	ZINC000054374114	176327843	/nfs/dbraw/zinc/32/78/43/176327843.db2.gz	ZVHBQJJVMVFXRM-SNVBAGLBSA-N	1	0	235.287	1.389	40	5		BDBBRO
C[C@H]1C[NH2+]CCN1Cc1cccc([N+](=O)[O-])c1	ZINC000054374115	177284859	/nfs/dbraw/zinc/28/48/59/177284859.db2.gz	ZVHBQJJVMVFXRM-JTQLQIEISA-N	1	0	235.287	1.389	40	5		BDBBRO
O=[N+]([O-])c1cccc(F)c1OC1CC[NH2+]CC1	ZINC000067800849	182945011	/nfs/dbraw/zinc/94/50/11/182945011.db2.gz	IZLPPBURLWUIOG-UHFFFAOYSA-N	1	0	240.234	1.865	40	5		BDBBRO
C[N+]1(C[C@@H](O)c2ccccc2)CCCC1	ZINC000001597633	383910226	/nfs/dbraw/zinc/91/02/26/383910226.db2.gz	MBHJRPZVQHLMOL-CYBMUJFWSA-N	1	0	206.309	1.960	40	5		BDBBRO
[NH3+][C@@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1	ZINC000050244067	383988549	/nfs/dbraw/zinc/98/85/49/383988549.db2.gz	XXAPXHVVMXESII-MRVPVSSYSA-N	1	0	225.223	1.271	40	5		BDBBRO
O=[N+]([O-])c1ccccc1NC[C@H]1CCC[NH2+]1	ZINC000053255034	386557453	/nfs/dbraw/zinc/55/74/53/386557453.db2.gz	YMUOJDPYCKPFNB-SECBINFHSA-N	1	0	221.260	1.759	40	5		BDBBRO
Cc1ccc(N2CC[NH2+]C[C@H]2C)c([N+](=O)[O-])c1	ZINC000054375162	132364315	/nfs/dbraw/zinc/36/43/15/132364315.db2.gz	UKBPQRZRINYHSB-SNVBAGLBSA-N	1	0	235.287	1.701	40	5		BDBBRO
CNC(=O)Oc1cc([N+](C)(C)C)ccc1C	ZINC000001718618	173293216	/nfs/dbraw/zinc/29/32/16/173293216.db2.gz	WAAZDNJMKNYTAI-UHFFFAOYSA-O	1	0	223.296	1.910	40	5		BDBBRO
C[C@H]1Cc2cc3c(cc2C[N+]1(C)C)OCO3	ZINC000001667105	177388788	/nfs/dbraw/zinc/38/87/88/177388788.db2.gz	WSYSROLVWRTJAU-VIFPVBQESA-N	1	0	220.292	1.936	40	5		BDBBRO
O=[N+]([O-])c1c(F)cccc1NC1CC[NH2+]CC1	ZINC000037421046	187597347	/nfs/dbraw/zinc/59/73/47/187597347.db2.gz	HFPKGMMPAPVUIZ-UHFFFAOYSA-N	1	0	239.250	1.898	40	5		BDBBRO
O=[N+]([O-])c1ccc(NC2CC[NH2+]CC2)nc1	ZINC000020324415	371267568	/nfs/dbraw/zinc/26/75/68/371267568.db2.gz	QMRGAWZGIOCHLH-UHFFFAOYSA-N	1	0	222.248	1.154	40	5		BDBBRO
[NH3+][C@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1	ZINC000050244066	383988691	/nfs/dbraw/zinc/98/86/91/383988691.db2.gz	XXAPXHVVMXESII-QMMMGPOBSA-N	1	0	225.223	1.271	40	5		BDBBRO
C[N+]1(C[C@H](O)COc2ccccc2)CCCC1	ZINC000036640171	384438293	/nfs/dbraw/zinc/43/82/93/384438293.db2.gz	AQKRTZZUHRNHMM-ZDUSSCGKSA-N	1	0	236.335	1.667	40	5		BDBBRO
C[NH+](C)CCCNCc1ccc([N+](=O)[O-])cc1	ZINC000057362372	384943833	/nfs/dbraw/zinc/94/38/33/384943833.db2.gz	GESDVFYOEWMINB-UHFFFAOYSA-N	1	0	237.303	1.636	40	5		BDBBRO
O=[N+]([O-])c1ccc(Cl)cc1N1CC[NH2+]CC1	ZINC000006756438	132318312	/nfs/dbraw/zinc/31/83/12/132318312.db2.gz	KNBXZNOINBXAQT-UHFFFAOYSA-N	1	0	241.678	1.658	40	5		BDBBRO
C[C@H]1C[NH2+]CCN1c1ccccc1[N+](=O)[O-]	ZINC000054374873	132364369	/nfs/dbraw/zinc/36/43/69/132364369.db2.gz	YUYFTFHUUJEVSV-VIFPVBQESA-N	1	0	221.260	1.393	40	5		BDBBRO
C[N+]1(Cc2ccccc2)CCC[C@@H](O)C1	ZINC000001585518	397917912	/nfs/dbraw/zinc/91/79/12/397917912.db2.gz	WOIPXYNVHSQOQT-KWCCSABGSA-N	1	0	206.309	1.788	40	5		BDBBRO
COc1cc(N2CC[C@H]([NH3+])C2)ccc1[N+](=O)[O-]	ZINC000091356025	488030690	/nfs/dbraw/zinc/03/06/90/488030690.db2.gz	JRIWVVGOWGJRLQ-QMMMGPOBSA-N	1	0	237.259	1.141	40	5		BDBBRO
COC(=O)CCC[N+]1(C)CCCCC1	ZINC000045221399	344561228	/nfs/dbraw/zinc/56/12/28/344561228.db2.gz	LVRLIBKKHNKNAL-UHFFFAOYSA-N	1	0	200.302	1.570	40	5		BDBBRO
C[N+]1(C)CC[C@@H](O)[C@H](c2ccccc2)C1	ZINC000001593055	383910103	/nfs/dbraw/zinc/91/01/03/383910103.db2.gz	JDKZWVSCQZMZQO-QWHCGFSZSA-N	1	0	206.309	1.611	40	5		BDBBRO
C[N+]1(C)CCC[C@](O)(C(=O)c2ccccc2)C1	ZINC000005385262	384111411	/nfs/dbraw/zinc/11/14/11/384111411.db2.gz	SGSHQDHMCOLJDQ-CQSZACIVSA-N	1	0	234.319	1.471	40	5		BDBBRO
C[C@H]1C[NH2+]CCN1c1ccc([N+](=O)[O-])cc1	ZINC000054374829	132364211	/nfs/dbraw/zinc/36/42/11/132364211.db2.gz	MSOLFNXBYZHSKJ-VIFPVBQESA-N	1	0	221.260	1.393	40	5		BDBBRO
CC(=O)N(C[C@@H](C)[NH3+])c1cccc([N+](=O)[O-])c1	ZINC000225753556	134357245	/nfs/dbraw/zinc/35/72/45/134357245.db2.gz	BQYPJWMLEKYQAW-MRVPVSSYSA-N	1	0	237.259	1.295	40	5		BDBBRO
CC(=O)N(C[C@H](C)[NH3+])c1cccc([N+](=O)[O-])c1	ZINC000225753577	134357400	/nfs/dbraw/zinc/35/74/00/134357400.db2.gz	BQYPJWMLEKYQAW-QMMMGPOBSA-N	1	0	237.259	1.295	40	5		BDBBRO
C[C@@H]1C[NH2+]CCN1Cc1ccccc1[N+](=O)[O-]	ZINC000054373131	176327708	/nfs/dbraw/zinc/32/77/08/176327708.db2.gz	UTSKPKRQUTWCES-SNVBAGLBSA-N	1	0	235.287	1.389	40	5		BDBBRO
C[C@H]1C[NH2+]CCN1Cc1ccc([N+](=O)[O-])cc1	ZINC000054373010	177284800	/nfs/dbraw/zinc/28/48/00/177284800.db2.gz	LHKSGIODIOZRRH-JTQLQIEISA-N	1	0	235.287	1.389	40	5		BDBBRO
NC(=[NH2+])COc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000058081624	181186649	/nfs/dbraw/zinc/18/66/49/181186649.db2.gz	HOEILMDTBIZVIS-UHFFFAOYSA-N	1	0	229.623	1.563	40	5		BDBBRO
[NH3+]CCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000005338036	181383768	/nfs/dbraw/zinc/38/37/68/181383768.db2.gz	WQYQCAZWHZNUGX-UHFFFAOYSA-N	1	0	240.219	1.264	40	5		BDBBRO
O=[N+]([O-])c1ccc(CCN2CC[NH2+]CC2)cc1	ZINC000019726918	371185084	/nfs/dbraw/zinc/18/50/84/371185084.db2.gz	LDHDLZVIOVDTCH-UHFFFAOYSA-N	1	0	235.287	1.043	40	5		BDBBRO
C[C@@H]1Cc2cc3c(cc2C[N+]1(C)C)OCO3	ZINC000004777748	384080928	/nfs/dbraw/zinc/08/09/28/384080928.db2.gz	WSYSROLVWRTJAU-SECBINFHSA-N	1	0	220.292	1.936	40	5		BDBBRO
C[N+]1(C[C@H](O)c2ccccc2)CCCC1	ZINC000006519725	384155205	/nfs/dbraw/zinc/15/52/05/384155205.db2.gz	MBHJRPZVQHLMOL-ZDUSSCGKSA-N	1	0	206.309	1.960	40	5		BDBBRO
O=[N+]([O-])c1ccccc1NC[C@@H]1CCC[NH2+]1	ZINC000053255032	386558146	/nfs/dbraw/zinc/55/81/46/386558146.db2.gz	YMUOJDPYCKPFNB-VIFPVBQESA-N	1	0	221.260	1.759	40	5		BDBBRO
C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)[C@@H](C)C[NH2+]1	ZINC000004773293	132317111	/nfs/dbraw/zinc/31/71/11/132317111.db2.gz	HZFREYKCBLRUCP-UWVGGRQHSA-N	1	0	235.287	1.781	40	5		BDBBRO
C[C@@H](O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC000008535091	175981691	/nfs/dbraw/zinc/98/16/91/175981691.db2.gz	MELZPPYLLIVSJH-MRVPVSSYSA-N	1	0	210.233	1.065	40	5		BDBBRO
[NH3+]C1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000020457226	181343601	/nfs/dbraw/zinc/34/36/01/181343601.db2.gz	CZRSYFWPHOBMMA-UHFFFAOYSA-N	1	0	249.270	1.158	40	5		BDBBRO
O=[N+]([O-])c1ccc(NCC2CC[NH2+]CC2)nc1	ZINC000040434835	373264313	/nfs/dbraw/zinc/26/43/13/373264313.db2.gz	DCXJDXMVEXZATG-UHFFFAOYSA-N	1	0	236.275	1.401	40	5		BDBBRO
C[N+](C)(C)c1ncnc2c1ncn2[C@H]1CCCO1	ZINC000001684490	383923803	/nfs/dbraw/zinc/92/38/03/383923803.db2.gz	KEESNWGHTQPUTB-SECBINFHSA-N	1	0	248.310	1.332	40	5		BDBBRO
CCc1cc([N+](=O)[O-])ccc1N1CC[NH+](C)CC1	ZINC000226316004	384973208	/nfs/dbraw/zinc/97/32/08/384973208.db2.gz	ZJEDTXJIBDDRHA-UHFFFAOYSA-N	1	0	249.314	1.909	40	5		BDBBRO
COC[C@@H]([NH3+])Cc1ccc([N+](=O)[O-])cc1	ZINC000063026381	386691679	/nfs/dbraw/zinc/69/16/79/386691679.db2.gz	XJEUXIUXTYQFJS-VIFPVBQESA-N	1	0	210.233	1.111	40	5		BDBBRO
C[N+]1([C@@H]2CC[C@H]3CC[C@@H]2[C@@H]3O)CCCC1	ZINC000000253002	388577273	/nfs/dbraw/zinc/57/72/73/388577273.db2.gz	WFYRTMMCIGPRMC-YVECIDJPSA-N	1	0	210.341	1.776	40	5		BDBBRO
C[N+](C)(C)Cc1ccc(N2C(=O)C=CC2=O)cc1	ZINC000002379147	177487429	/nfs/dbraw/zinc/48/74/29/177487429.db2.gz	ZROGCTVOCDHUKJ-UHFFFAOYSA-N	1	0	245.302	1.322	40	5	in-vitro	BDBBRO
CC(C)[C@@H]([NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000005274101	487946325	/nfs/dbraw/zinc/94/63/25/487946325.db2.gz	IFIZCLBWDPSXDM-SNVBAGLBSA-N	1	0	237.259	1.517	40	5		BDBBRO
CC[N+](C)(CC)CCn1nnc2ccccc21	ZINC000005469392	342764521	/nfs/dbraw/zinc/76/45/21/342764521.db2.gz	NGVVBZKJTLDSQF-UHFFFAOYSA-N	1	0	233.339	1.918	40	5		BDBBRO
OCC1=CC[N+]2(Cc3ccccc3)CC[C@H](O)[C@H]12	ZINC000000526751	346418434	/nfs/dbraw/zinc/41/84/34/346418434.db2.gz	MPDVSGSUYGUBLA-KSCSMHSMSA-N	1	0	246.330	1.069	40	5		BDBBRO
NC(=[NH2+])SCc1cccc([N+](=O)[O-])c1	ZINC000005188919	181192851	/nfs/dbraw/zinc/19/28/51/181192851.db2.gz	HAGADBVKCDLEFJ-UHFFFAOYSA-N	1	0	211.246	1.721	40	5		BDBBRO
CN1C=Cc2ccccc2[C@H]1C[N+](=O)[O-]	ZINC000031669913	372087982	/nfs/dbraw/zinc/08/79/82/372087982.db2.gz	YMIXPQDJQDJFKQ-LLVKDONJSA-N	1	0	204.229	1.921	40	5		BDBBRO
O=C(NC1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1	ZINC000037116540	182116501	/nfs/dbraw/zinc/11/65/01/182116501.db2.gz	RLBIDXCMFYIGDH-UHFFFAOYSA-N	1	0	249.270	1.077	40	5		BDBBRO
C[N+]1(CCC(=O)c2ccccc2)CCOCC1	ZINC000001572952	383904693	/nfs/dbraw/zinc/90/46/93/383904693.db2.gz	OALDZOFUYGSDOE-UHFFFAOYSA-N	1	0	234.319	1.736	40	5		BDBBRO
C[N+](C)(C)CCS(=O)(=O)Cc1ccccc1	ZINC000001722034	384914941	/nfs/dbraw/zinc/91/49/41/384914941.db2.gz	RUFNDGAPTFKUQO-UHFFFAOYSA-N	1	0	242.364	1.308	40	5		BDBBRO
Cc1ccc(N2CC[NH2+]CC2)c([N+](=O)[O-])c1	ZINC000006390527	132318358	/nfs/dbraw/zinc/31/83/58/132318358.db2.gz	KPJKQLUMKYBKCR-UHFFFAOYSA-N	1	0	221.260	1.313	40	5		BDBBRO
C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]1	ZINC000071978892	177228359	/nfs/dbraw/zinc/22/83/59/177228359.db2.gz	QAYNJNKTUBDOLT-VIFPVBQESA-N	1	0	249.270	1.029	40	5		BDBBRO
[NH3+]Cc1ccc([N+](=O)[O-])c(Br)c1	ZINC000199713082	398204392	/nfs/dbraw/zinc/20/43/92/398204392.db2.gz	CWOLHJQUPKNBGH-UHFFFAOYSA-N	1	0	231.049	1.816	40	5		BDBBRO
CC[N+]1([C@H]2CC[C@H]3CC[C@@H]2C3=O)CCOCC1	ZINC000001761987	342712181	/nfs/dbraw/zinc/71/21/81/342712181.db2.gz	MXWPXGWUDJCQTO-AGIUHOORSA-N	1	0	238.351	1.611	40	5		BDBBRO
CC[N+](C)(CC)C[C@H]1C[C@H](C)OC1=O	ZINC000005339816	342762291	/nfs/dbraw/zinc/76/22/91/342762291.db2.gz	NPFQMTANNZXFQC-VHSXEESVSA-N	1	0	200.302	1.424	40	5		BDBBRO
CC(=O)OCC1(C[N+](C)(C)C)CCCC1	ZINC000005064879	187586360	/nfs/dbraw/zinc/58/63/60/187586360.db2.gz	SVNDSVYWLSWGCL-UHFFFAOYSA-N	1	0	214.329	1.816	40	5		BDBBRO
CC(C)N(CC[NH3+])Cc1ccc([N+](=O)[O-])cc1	ZINC000079420712	188291538	/nfs/dbraw/zinc/29/15/38/188291538.db2.gz	BIYUUFNOSAHZEH-UHFFFAOYSA-N	1	0	237.303	1.764	40	5		BDBBRO
[NH3+]CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1	ZINC000079420874	181348627	/nfs/dbraw/zinc/34/86/27/181348627.db2.gz	PSKLVXRJYBIKFM-UHFFFAOYSA-N	1	0	249.270	1.045	40	5		BDBBRO
C[N+]1(C)CCO[C@@](O)(c2ccc(F)cc2)C1	ZINC000000162678	383836362	/nfs/dbraw/zinc/83/63/62/383836362.db2.gz	LPMKRPCHDMXLAH-GFCCVEGCSA-N	1	0	226.271	1.077	40	5		BDBBRO
C[NH+](C)CCNc1nc(Cl)ccc1[N+](=O)[O-]	ZINC000036925899	388023254	/nfs/dbraw/zinc/02/32/54/388023254.db2.gz	GTMZPOCPNWMGMP-UHFFFAOYSA-N	1	0	244.682	1.617	40	5		BDBBRO
C[N@@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])cc2)C1	ZINC000035635951	173156397	/nfs/dbraw/zinc/15/63/97/173156397.db2.gz	JCOQCIOOCBCHDU-NSHDSACASA-N	1	0	222.244	1.678	40	5		BDBBRO
C[NH2+]CCCNCc1ccc([N+](=O)[O-])cc1	ZINC000008377116	173349676	/nfs/dbraw/zinc/34/96/76/173349676.db2.gz	JRQRKCGGJSYNCG-UHFFFAOYSA-N	1	0	223.276	1.294	40	5		BDBBRO
O=[N+]([O-])c1cccc(N2CCC[NH2+]CC2)c1	ZINC000026896787	359530401	/nfs/dbraw/zinc/53/04/01/359530401.db2.gz	IZXOFIZUDVFRNW-UHFFFAOYSA-N	1	0	221.260	1.395	40	5		BDBBRO
O=[N+]([O-])c1cccnc1OC1CC[NH2+]CC1	ZINC000040434996	373264603	/nfs/dbraw/zinc/26/46/03/373264603.db2.gz	HXRQUTWZSQYGCM-UHFFFAOYSA-N	1	0	223.232	1.121	40	5		BDBBRO
O=[N+]([O-])c1cc2c(cc1Cl)C[NH2+]CC2	ZINC000097062498	182925939	/nfs/dbraw/zinc/92/59/39/182925939.db2.gz	KFCNHVMLOCIZKK-UHFFFAOYSA-N	1	0	212.636	1.894	40	5		BDBBRO
C[N+](C)(C)CCC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001571720	383904260	/nfs/dbraw/zinc/90/42/60/383904260.db2.gz	GPXWUBXWZSMCPR-UHFFFAOYSA-N	1	0	237.279	1.874	40	5		BDBBRO
C[C@H]([NH3+])c1nc(-c2ccc([N+](=O)[O-])cc2)n[nH]1	ZINC000061843972	384790819	/nfs/dbraw/zinc/79/08/19/384790819.db2.gz	OTZGDPWFEMEYPN-LURJTMIESA-N	1	0	233.231	1.400	40	5		BDBBRO
CCN(CC[NH3+])Cc1cccc([N+](=O)[O-])c1	ZINC000079420702	388694614	/nfs/dbraw/zinc/69/46/14/388694614.db2.gz	UTKPPZARSATDLH-UHFFFAOYSA-N	1	0	223.276	1.375	40	5		BDBBRO
[NH3+][C@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1	ZINC000067800828	388701341	/nfs/dbraw/zinc/70/13/41/388701341.db2.gz	MMQZVQUWXQUDJP-ZETCQYMHSA-N	1	0	225.223	1.271	40	5		BDBBRO
C[NH2+]CCCNCc1cccc([N+](=O)[O-])c1	ZINC000057362395	173349774	/nfs/dbraw/zinc/34/97/74/173349774.db2.gz	UKQRHXZTGBAGNL-UHFFFAOYSA-N	1	0	223.276	1.294	40	5		BDBBRO
COCC[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC000058055269	174336075	/nfs/dbraw/zinc/33/60/75/174336075.db2.gz	DWZMFDMKLLFLTG-UHFFFAOYSA-N	1	0	210.233	1.331	40	5		BDBBRO
C[N+](C)(C)C[C@@H]1Cc2ccccc2C1=O	ZINC000001638163	177486620	/nfs/dbraw/zinc/48/66/20/177486620.db2.gz	RIHHCDGMNDWXNT-NSHDSACASA-N	1	0	204.293	1.748	40	5		BDBBRO
O=[N+]([O-])c1cccnc1N1CC[N@@H+]2CCC[C@H]2C1	ZINC000247342508	487829821	/nfs/dbraw/zinc/82/98/21/487829821.db2.gz	SSVYWQCORLQPLT-JTQLQIEISA-N	1	0	248.286	1.274	40	5		BDBBRO
[NH3+]CCOc1ccc([N+](=O)[O-])cc1Cl	ZINC000001717005	487879786	/nfs/dbraw/zinc/87/97/86/487879786.db2.gz	VWEDYWYYEBFIBU-UHFFFAOYSA-N	1	0	216.624	1.586	40	5		BDBBRO
C[N@H+](CCO)Cc1cccc([N+](=O)[O-])c1	ZINC000049633350	342673426	/nfs/dbraw/zinc/67/34/26/342673426.db2.gz	RXFFAMGBOWWXNS-UHFFFAOYSA-N	1	0	210.233	1.019	40	5		BDBBRO
C[N+]12CCC[C@@H]1[C@@H]1C[C@H](C2)c2cccc(=O)n2C1	ZINC000000484948	359621451	/nfs/dbraw/zinc/62/14/51/359621451.db2.gz	PDBKVEXJATVUPI-ODHPIICFSA-N	1	0	245.346	1.574	40	5		BDBBRO
CCCCC[N+](C)(C)CCOC(C)=O	ZINC000148703401	368403575	/nfs/dbraw/zinc/40/35/75/368403575.db2.gz	QGCRLJFQIDNSQY-UHFFFAOYSA-N	1	0	202.318	1.816	40	5		BDBBRO
O=[N+]([O-])c1cccc(C2=CC[NH2+]CC2)c1	ZINC000143851201	374254399	/nfs/dbraw/zinc/25/43/99/374254399.db2.gz	OYNRULMXYHDMFI-UHFFFAOYSA-N	1	0	204.229	1.972	40	5		BDBBRO
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]1	ZINC000005344473	182361947	/nfs/dbraw/zinc/36/19/47/182361947.db2.gz	JWXPYNYNEUYKOW-SNVBAGLBSA-N	1	0	235.243	1.285	40	5	in-vitro	BDBBRO
[NH3+][C@@H]1CCN(c2cccc(F)c2[N+](=O)[O-])C1	ZINC000050244280	383988738	/nfs/dbraw/zinc/98/87/38/383988738.db2.gz	ZNBDCZKQDHZEMH-SSDOTTSWSA-N	1	0	225.223	1.271	40	5		BDBBRO
CC1(C)CC([N+](=O)[O-])([N+](=O)[O-])CC(C)(C)[NH2+]1	ZINC000019325392	388737996	/nfs/dbraw/zinc/73/79/96/388737996.db2.gz	KOSRXOQGDSUXAT-UHFFFAOYSA-N	1	0	231.252	1.177	40	5		BDBBRO
[NH3+]C1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1	ZINC000020134836	388754899	/nfs/dbraw/zinc/75/48/99/388754899.db2.gz	QZWDHNIUKJKZSN-UHFFFAOYSA-N	1	0	239.250	1.661	40	5		BDBBRO
O=[N+]([O-])c1cccc(F)c1O[C@@H]1CC[NH2+]C1	ZINC000067800855	388701037	/nfs/dbraw/zinc/70/10/37/388701037.db2.gz	SEURDWYODCOCMT-SSDOTTSWSA-N	1	0	226.207	1.475	40	5		BDBBRO
O=[N+]([O-])c1cccnc1N1CC[N@@H+]2CCC[C@@H]2C1	ZINC000024659581	132267022	/nfs/dbraw/zinc/26/70/22/132267022.db2.gz	SSVYWQCORLQPLT-SNVBAGLBSA-N	1	0	248.286	1.274	40	5		BDBBRO
C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]1	ZINC000071978891	176261702	/nfs/dbraw/zinc/26/17/02/176261702.db2.gz	QAYNJNKTUBDOLT-SECBINFHSA-N	1	0	249.270	1.029	40	5		BDBBRO
C[C@@H]1C[NH2+]CCN1Cc1ccc([N+](=O)[O-])cc1	ZINC000054373008	176326566	/nfs/dbraw/zinc/32/65/66/176326566.db2.gz	LHKSGIODIOZRRH-SNVBAGLBSA-N	1	0	235.287	1.389	40	5		BDBBRO
CN(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC000020056958	521787855	/nfs/dbraw/zinc/78/78/55/521787855.db2.gz	YOEVEYQQUXHSQY-UHFFFAOYSA-N	1	0	223.276	1.246	40	5		BDBBRO
CC[N+](C)(CC)C[C@@H]1C[C@H](C)OC1=O	ZINC000001758019	342712313	/nfs/dbraw/zinc/71/23/13/342712313.db2.gz	NPFQMTANNZXFQC-UWVGGRQHSA-N	1	0	200.302	1.424	40	5		BDBBRO
CC(=O)O[C@@H]1C[C@H]2CCCC[C@@H]2[N+](C)(C)C1	ZINC000005395488	342763290	/nfs/dbraw/zinc/76/32/90/342763290.db2.gz	HIOCBGYLJFSZOO-UPJWGTAASA-N	1	0	226.340	1.957	40	5		BDBBRO
O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](O)C2)c1	ZINC000038538862	372694991	/nfs/dbraw/zinc/69/49/91/372694991.db2.gz	LKEWGWDXLPFRKT-NSHDSACASA-N	1	0	222.244	1.161	40	5		BDBBRO
O=C(c1cccc([N+](=O)[O-])c1)N1CCC[NH2+]CC1	ZINC000019262342	182674054	/nfs/dbraw/zinc/67/40/54/182674054.db2.gz	IEYKWMKTCHCVEQ-UHFFFAOYSA-N	1	0	249.270	1.030	40	5		BDBBRO
C[N+]1(C[C@H](O)c2ccccc2)CCOCC1	ZINC000006519786	384155729	/nfs/dbraw/zinc/15/57/29/384155729.db2.gz	IRELKPHNANAQBL-ZDUSSCGKSA-N	1	0	222.308	1.197	40	5		BDBBRO
Cc1[nH+]c(N)nc(N)c1-c1ccc([N+](=O)[O-])cc1	ZINC000013284970	322820842	/nfs/dbraw/zinc/82/08/42/322820842.db2.gz	GYEJYLAGVWRSIM-UHFFFAOYSA-N	1	0	245.242	1.525	40	5		BDBBRO
O=[N+]([O-])c1c(F)cccc1N1CC[NH2+]CC1	ZINC000037418900	132344573	/nfs/dbraw/zinc/34/45/73/132344573.db2.gz	CBGNOUSLRMOZOU-UHFFFAOYSA-N	1	0	225.223	1.144	40	5		BDBBRO
CC[N+]1([C@H]2CC[C@H]3CC[C@@H]2[C@@H]3O)CCOCC1	ZINC000005105710	342758508	/nfs/dbraw/zinc/75/85/08/342758508.db2.gz	RCYBRYYJLMVFBK-ZOBORPQBSA-N	1	0	240.367	1.403	40	5		BDBBRO
O=[N+]([O-])c1ccc(C2CC[NH2+]CC2)nc1	ZINC000002527202	369064016	/nfs/dbraw/zinc/06/40/16/369064016.db2.gz	CFGZKQZNAOGGKB-UHFFFAOYSA-N	1	0	207.233	1.457	40	5		BDBBRO
O=[N+]([O-])c1cccc(CN2CCC[NH2+]CC2)c1	ZINC000019393915	371138628	/nfs/dbraw/zinc/13/86/28/371138628.db2.gz	VJYWDSCMVHVXQZ-UHFFFAOYSA-N	1	0	235.287	1.390	40	5		BDBBRO
[NH3+][C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1	ZINC000038538861	181651418	/nfs/dbraw/zinc/65/14/18/181651418.db2.gz	HACZZGUCTDBHMT-JTQLQIEISA-N	1	0	221.260	1.128	40	5		BDBBRO
[NH3+][C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1	ZINC000038538859	372695203	/nfs/dbraw/zinc/69/52/03/372695203.db2.gz	HACZZGUCTDBHMT-SNVBAGLBSA-N	1	0	221.260	1.128	40	5		BDBBRO
[NH3+][C@H]1CCN(c2ccccc2[N+](=O)[O-])C1	ZINC000050244026	383988425	/nfs/dbraw/zinc/98/84/25/383988425.db2.gz	UOUOGVMYZQSAEN-QMMMGPOBSA-N	1	0	207.233	1.132	40	5		BDBBRO
CC(=O)O[C@H]1C[C@H]2CCCC[C@@H]2[N+](C)(C)C1	ZINC000005395489	384115336	/nfs/dbraw/zinc/11/53/36/384115336.db2.gz	HIOCBGYLJFSZOO-AGIUHOORSA-N	1	0	226.340	1.957	40	5		BDBBRO
C[C@@H]([NH3+])c1nc(Cc2ccc([N+](=O)[O-])cc2)n[nH]1	ZINC000082751644	384562826	/nfs/dbraw/zinc/56/28/26/384562826.db2.gz	RSKKLOVGEVEZNZ-SSDOTTSWSA-N	1	0	247.258	1.323	40	5		BDBBRO
C[NH+](C)CCNc1nc(Cl)ncc1[N+](=O)[O-]	ZINC000096311473	384881209	/nfs/dbraw/zinc/88/12/09/384881209.db2.gz	SFJRLQWBEZNSIS-UHFFFAOYSA-N	1	0	245.670	1.012	40	5		BDBBRO
O=[N+]([O-])c1cc(F)ccc1OC1CC[NH2+]CC1	ZINC000051865404	386055316	/nfs/dbraw/zinc/05/53/16/386055316.db2.gz	JRCDVXYTUYSIDA-UHFFFAOYSA-N	1	0	240.234	1.865	40	5		BDBBRO
[NH3+]CCS[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000003040750	388361889	/nfs/dbraw/zinc/36/18/89/388361889.db2.gz	BETQUCVLOBNDLR-VIFPVBQESA-N	1	0	228.273	1.278	40	5		BDBBRO
C[C@H]([NH3+])c1nc(-c2ccccc2[N+](=O)[O-])n[nH]1	ZINC000095534642	388778746	/nfs/dbraw/zinc/77/87/46/388778746.db2.gz	HBRCLAKFLVTKRV-LURJTMIESA-N	1	0	233.231	1.400	40	5		BDBBRO
COc1cc([N+](=O)[O-])cc(C[NH3+])c1OC(F)F	ZINC000078406333	175017979	/nfs/dbraw/zinc/01/79/79/175017979.db2.gz	BGGGAYKKTGYDAA-UHFFFAOYSA-N	1	0	248.185	1.664	40	5		BDBBRO
O=C(NC1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-]	ZINC000037116539	182116538	/nfs/dbraw/zinc/11/65/38/182116538.db2.gz	XEBINLICEOACOT-UHFFFAOYSA-N	1	0	249.270	1.077	40	5		BDBBRO
[NH3+][C@H]1CCN(c2cccc(F)c2[N+](=O)[O-])C1	ZINC000050244279	383988449	/nfs/dbraw/zinc/98/84/49/383988449.db2.gz	ZNBDCZKQDHZEMH-ZETCQYMHSA-N	1	0	225.223	1.271	40	5		BDBBRO
COC[C@H]([NH3+])Cc1ccc([N+](=O)[O-])cc1	ZINC000063026380	386551532	/nfs/dbraw/zinc/55/15/32/386551532.db2.gz	XJEUXIUXTYQFJS-SECBINFHSA-N	1	0	210.233	1.111	40	5		BDBBRO
CC(C)(CO)[NH2+]Cc1cccc([N+](=O)[O-])c1	ZINC000006883174	387781636	/nfs/dbraw/zinc/78/16/36/387781636.db2.gz	ZBBFFPFOROZLSI-UHFFFAOYSA-N	1	0	224.260	1.455	40	5		BDBBRO
[NH3+][C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000050227752	387849176	/nfs/dbraw/zinc/84/91/76/387849176.db2.gz	QSZRYYRJYVORIT-SNVBAGLBSA-N	1	0	221.260	1.128	40	5		BDBBRO
C[NH+]1C[C@@H]2CN(c3ccc([N+](=O)[O-])cc3)C[C@H]2C1	ZINC000026895932	173190501	/nfs/dbraw/zinc/19/05/01/173190501.db2.gz	MDXHLQQRWAKCBH-GHMZBOCLSA-N	1	0	247.298	1.593	40	5		BDBBRO
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[NH2+]CC1	ZINC000022165769	343912858	/nfs/dbraw/zinc/91/28/58/343912858.db2.gz	NUUMHTSFHGEGAZ-UHFFFAOYSA-N	1	0	249.270	1.030	40	5		BDBBRO
[NH3+]CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1	ZINC000079420880	181347577	/nfs/dbraw/zinc/34/75/77/181347577.db2.gz	ISLUPORRTWWKSN-UHFFFAOYSA-N	1	0	249.270	1.045	40	5		BDBBRO
OCC1=CC[N@+]2(Cc3ccccc3)CC[C@H](O)[C@H]12	ZINC000245377571	259545362	/nfs/dbraw/zinc/54/53/62/259545362.db2.gz	MPDVSGSUYGUBLA-HRCADAONSA-N	1	0	246.330	1.069	40	5		BDBBRO
O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](O)C2)c1	ZINC000038538864	372694974	/nfs/dbraw/zinc/69/49/74/372694974.db2.gz	LKEWGWDXLPFRKT-LLVKDONJSA-N	1	0	222.244	1.161	40	5		BDBBRO
O=[N+]([O-])c1ccc(C[N+]23CCN(CC2)CC3)cc1	ZINC000001726781	182932348	/nfs/dbraw/zinc/93/23/48/182932348.db2.gz	IYSITXDWXFICSC-UHFFFAOYSA-N	1	0	248.306	1.241	40	5		BDBBRO
COc1ccc2[o+]c3n(C)cccc-3c(=O)c2c1	ZINC000001610820	175232397	/nfs/dbraw/zinc/23/23/97/175232397.db2.gz	JIDZGBTTZJCTCJ-UHFFFAOYSA-N	1	0	242.254	1.779	40	5		BDBBRO
COc1cccc(C(=O)CC[N+](C)(C)C)c1	ZINC000001571868	175242382	/nfs/dbraw/zinc/24/23/82/175242382.db2.gz	VRSRTZVEYXJGOB-UHFFFAOYSA-N	1	0	222.308	1.974	40	5		BDBBRO
C[C@@H]1C[NH2+]CCN1CCc1ccc([N+](=O)[O-])cc1	ZINC000054374339	176327192	/nfs/dbraw/zinc/32/71/92/176327192.db2.gz	DJJBWWMTXSWIMO-LLVKDONJSA-N	1	0	249.314	1.431	40	5		BDBBRO
C[NH+](C)CCO[C@@H](c1ccc(F)s1)[N+](=O)[O-]	ZINC000228915785	521796276	/nfs/dbraw/zinc/79/62/76/521796276.db2.gz	NAZQRKSPOGPMMU-VIFPVBQESA-N	1	0	248.279	1.741	40	5		BDBBRO
CC[N+]1([C@@H]2CC[C@H]3CC[C@@H]2C3=O)CCOCC1	ZINC000005105712	342758336	/nfs/dbraw/zinc/75/83/36/342758336.db2.gz	MXWPXGWUDJCQTO-FRRDWIJNSA-N	1	0	238.351	1.611	40	5		BDBBRO
O=[N+]([O-])c1c(F)cccc1O[C@@H]1CC[NH2+]C1	ZINC000051868534	187781630	/nfs/dbraw/zinc/78/16/30/187781630.db2.gz	VISVENUMUZKRDL-SSDOTTSWSA-N	1	0	226.207	1.475	40	5		BDBBRO
CC[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])nn1C	ZINC000408717255	384353165	/nfs/dbraw/zinc/35/31/65/384353165.db2.gz	XNDAFXCNRVJBNG-SSDOTTSWSA-N	1	0	212.253	1.216	40	5		BDBBRO
O=[N+]([O-])c1cccnc1SC[C@H]1CC[NH2+]C1	ZINC000091365522	388628392	/nfs/dbraw/zinc/62/83/92/388628392.db2.gz	KDIMQNKHLNDUIM-QMMMGPOBSA-N	1	0	239.300	1.691	40	5		BDBBRO
CN(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1	ZINC000020056959	388752679	/nfs/dbraw/zinc/75/26/79/388752679.db2.gz	QAHRWCIPSQYHBY-UHFFFAOYSA-N	1	0	223.276	1.246	40	5		BDBBRO
C[C@@H]1C[NH2+]CCN1c1ccc([N+](=O)[O-])cc1	ZINC000054374828	132364175	/nfs/dbraw/zinc/36/41/75/132364175.db2.gz	MSOLFNXBYZHSKJ-SECBINFHSA-N	1	0	221.260	1.393	40	5		BDBBRO
C[N@H+]1C[C@H]2CN(c3ccc([N+](=O)[O-])cc3)C[C@H]2C1	ZINC000026895926	173200065	/nfs/dbraw/zinc/20/00/65/173200065.db2.gz	MDXHLQQRWAKCBH-PHIMTYICSA-N	1	0	247.298	1.593	40	5		BDBBRO
NC(=O)C12CC[N+](Cc3ccccc3)(CC1)C2	ZINC000261507283	181215323	/nfs/dbraw/zinc/21/53/23/181215323.db2.gz	HDCXCCXANQZOLL-UHFFFAOYSA-O	1	0	231.319	1.283	40	5		BDBBRO
O=[N+]([O-])c1cccc(OCC2C[NH2+]C2)c1	ZINC000038580802	372709300	/nfs/dbraw/zinc/70/93/00/372709300.db2.gz	OZXOXYVSKZAOGP-UHFFFAOYSA-N	1	0	208.217	1.193	40	5		BDBBRO
[NH3+][C@@H]1CCN(c2ccccc2[N+](=O)[O-])C1	ZINC000050244027	383988468	/nfs/dbraw/zinc/98/84/68/383988468.db2.gz	UOUOGVMYZQSAEN-MRVPVSSYSA-N	1	0	207.233	1.132	40	5		BDBBRO
O=[N+]([O-])c1cccnc1OCC1CC[NH2+]CC1	ZINC000051869857	387439793	/nfs/dbraw/zinc/43/97/93/387439793.db2.gz	CHCAJIFNXYRTKR-UHFFFAOYSA-N	1	0	237.259	1.368	40	5		BDBBRO
OCC1=CC[N@+]2(Cc3ccccc3)CC[C@@H](O)[C@H]12	ZINC000245377573	388624459	/nfs/dbraw/zinc/62/44/59/388624459.db2.gz	MPDVSGSUYGUBLA-OWCLPIDISA-N	1	0	246.330	1.069	40	5		BDBBRO
CCOC(=O)CC[N+]1(C)CCCCC1	ZINC000001556639	170211752	/nfs/dbraw/zinc/21/17/52/170211752.db2.gz	VHMKEKCCVAQACI-UHFFFAOYSA-N	1	0	200.302	1.570	40	5		BDBBRO
C[N+]12CCC(c3ccccc3)(CC1)[C@H](O)C2	ZINC000001594081	342704784	/nfs/dbraw/zinc/70/47/84/342704784.db2.gz	HWSJHLHRHLEJPM-WLYUNCDWSA-N	1	0	218.320	1.539	40	5		BDBBRO
C[NH+](C)CCCNCc1cccc([N+](=O)[O-])c1	ZINC000057362383	398320438	/nfs/dbraw/zinc/32/04/38/398320438.db2.gz	JSUVCIHUKILZSJ-UHFFFAOYSA-N	1	0	237.303	1.636	40	5		BDBBRO
O=[N+]([O-])c1ccc(CCN2CCC[NH2+]CC2)cc1	ZINC000035677509	358088093	/nfs/dbraw/zinc/08/80/93/358088093.db2.gz	QVWRTKSALBQMRO-UHFFFAOYSA-N	1	0	249.314	1.433	40	5		BDBBRO
C[N+]1([C@H]2CC[C@@H]3CC[C@H]2[C@@H]3O)CCCC1	ZINC000004042120	384038066	/nfs/dbraw/zinc/03/80/66/384038066.db2.gz	WFYRTMMCIGPRMC-QNWHQSFQSA-N	1	0	210.341	1.776	40	5		BDBBRO
C[C@@H]([NH3+])CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000005336167	385028283	/nfs/dbraw/zinc/02/82/83/385028283.db2.gz	LLPAIWNAHYVSMS-ZCFIWIBFSA-N	1	0	240.219	1.262	40	5		BDBBRO
O=[N+]([O-])c1c(F)cccc1OC1CC[NH2+]CC1	ZINC000051865649	386054542	/nfs/dbraw/zinc/05/45/42/386054542.db2.gz	HCOZYHJLNGCIID-UHFFFAOYSA-N	1	0	240.234	1.865	40	5		BDBBRO
CNC(=O)Oc1cccc([N+](C)(C)C)c1	ZINC000005700431	536343201	/nfs/dbraw/zinc/34/32/01/536343201.db2.gz	NTUWKYJEWBGXQA-UHFFFAOYSA-O	1	0	209.269	1.602	40	5		BDBBRO